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	hartrees
Energy at 0K	-356.072851
Energy at 298.15K	-356.080739
HF Energy	-355.472515
Nuclear repulsion energy	246.224457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3014	14.15
2	A'	3203	2993	2.15
3	A'	3156	2949	8.04
4	A'	1641	1534	6.99
5	A'	1625	1518	5.88
6	A'	1533	1432	10.05
7	A'	1482	1385	145.20
8	A'	1467	1370	116.42
9	A'	1201	1123	48.74
10	A'	1183	1105	216.93
11	A'	1051	982	83.76
12	A'	972	908	45.70
13	A'	881	824	43.11
14	A'	701	655	1.80
15	A'	540	504	5.30
16	A'	387	361	6.99
17	A'	231	216	0.33
18	A"	3262	3048	22.93
19	A"	3231	3019	2.14
20	A"	1612	1506	7.28
21	A"	1367	1277	0.01
22	A"	1246	1164	6.32
23	A"	894	835	0.79
24	A"	708	661	23.28
25	A"	256	239	0.64
26	A"	120	112	2.36
27	A"	101	94	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	1.116	-0.310	0.000
O2	0.000	0.606	0.000
O3	2.225	0.250	0.000
O4	0.842	-1.535	0.000
C5	-1.299	-0.118	0.000
C6	-2.341	0.999	0.000
H7	-1.357	-0.743	0.885
H8	-1.357	-0.743	-0.885
H9	-3.340	0.562	0.000
H10	-2.225	1.620	0.885
H11	-2.225	1.620	-0.885

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4439	1.2417	1.2553	2.4225	3.6969	2.6625	2.6625	4.5409	3.9590	3.9590
O2	1.4439		2.2530	2.3009	1.4872	2.3741	2.1084	2.1084	3.3406	2.6007	2.6007
O3	1.2417	2.2530		2.2574	3.5426	4.6271	3.8208	3.8208	5.5736	4.7395	4.7395
O4	1.2553	2.3009	2.2574		2.5673	4.0688	2.4999	2.4999	4.6788	4.4887	4.4887
C5	2.4225	1.4872	3.5426	2.5673		1.5279	1.0850	1.0850	2.1519	2.1598	2.1598
C6	3.6969	2.3741	4.6271	4.0688	1.5279		2.1873	2.1873	1.0899	1.0881	1.0881
H7	2.6625	2.1084	3.8208	2.4999	1.0850	2.1873		1.7709	2.5335	2.5173	3.0777
H8	2.6625	2.1084	3.8208	2.4999	1.0850	2.1873	1.7709		2.5335	3.0777	2.5173
H9	4.5409	3.3406	5.5736	4.6788	2.1519	1.0899	2.5335	2.5335		1.7740	1.7740
H10	3.9590	2.6007	4.7395	4.4887	2.1598	1.0881	2.5173	3.0777	1.7740		1.7705
H11	3.9590	2.6007	4.7395	4.4887	2.1598	1.0881	3.0777	2.5173	1.7740	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	111.467	O2	N1	O3	113.837
O2	N1	O4	116.780	O2	C5	C6	103.881
O2	C5	H7	109.109	O2	C5	H8	109.109
O3	N1	O4	129.383	C5	C6	H9	109.432
C5	C6	H10	110.168	C5	C6	H11	110.168
C6	C5	H7	112.570	C6	C5	H8	112.570
H7	C5	H8	109.390	H9	C6	H10	109.075
H9	C6	H11	109.075	H10	C6	H11	108.899

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)

using model chemistry: CISD/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)